NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.4498 8.4444 118.6701 56.3463 32.5815 175.3799 4 K 4.2680 7.5968 117.2852 54.4278 35.4139 174.1054 5 Y 4.0413 9.4561 129.3463 57.6747 39.2872 173.3727 6 I 4.0995 7.5461 127.3137 60.0560 38.4974 175.4811 7 V 4.1912 7.8650 127.4553 61.2517 33.0939 175.2916 8 T 4.1763 8.1464 118.2643 60.3237 70.9530 175.9727 9 W 4.3691 8.7592 121.7307 60.2371 29.0896 178.3136 10 D 4.4530 8.3332 118.1137 57.9152 40.2930 178.8457 11 M 4.0089 7.7043 117.6057 58.1517 31.8399 178.5705 12 L 4.0452 8.1667 120.6608 58.2132 42.2930 178.8181 13 Q 4.0396 8.4965 119.7494 59.2248 28.9951 178.3306 14 I 3.7149 7.8549 120.7934 64.6791 37.1798 178.0823 15 H 4.1794 8.2380 116.8140 58.8945 28.4496 177.7012 16 A 4.0183 8.3520 122.8057 55.3181 18.2086 179.9287 17 R 3.8801 8.1921 116.5887 59.0937 29.8564 179.2501 18 K 3.9182 7.8829 118.7812 59.3638 32.6178 178.2913 19 L 4.0199 7.9930 120.4057 57.9713 41.9811 178.6547 20 A 3.9925 8.3169 121.3130 55.3762 18.3520 179.8650 21 S 4.1327 8.1270 112.4745 61.2951 62.7671 176.0561 22 R 4.2464 7.6566 120.0668 57.5239 29.9931 176.4641 23 L 4.7714 7.5222 116.8354 55.1275 42.0823 176.6341 24 M 4.4108 7.4415 117.6837 54.5027 32.1900 174.6372 25 P 4.5559 0.0000 0.0000 62.1145 32.6321 178.0716 26 S 4.4558 8.6238 115.7348 61.3600 63.2424 176.1484 27 E 4.0956 8.0850 119.4349 58.3284 29.2423 177.4641 28 Q 3.9064 7.2706 114.8599 56.4782 29.1580 175.7274 29 W 5.0824 7.5200 121.6920 55.7580 30.8475 176.8398 30 K 4.0204 8.9721 127.2596 57.9195 32.1784 174.3086 31 G 4.0222 6.6754 104.7333 46.0106 0.0000 172.0632 32 I 5.2186 7.9965 119.0902 59.4979 41.2673 174.7943 33 I 4.8499 9.3018 127.8837 59.5663 39.4997 174.3365 34 A 4.9375 9.0985 129.9376 50.3488 21.3882 175.8212 35 V 4.4398 8.1856 122.1448 61.5651 32.7295 175.6095 36 S 4.4192 8.9001 125.6028 59.1972 62.8438 174.8126 37 R 4.3249 8.7029 121.7987 56.8039 30.9943 178.4999 38 G 3.8144 7.6367 106.3076 47.4544 0.0000 175.0236 39 G 3.8063 8.5617 110.4032 47.2386 0.0000 176.1571 40 L 3.9019 7.7668 124.3989 59.6035 40.7965 184.9213 41 V 3.8255 7.4132 118.0361 65.6210 31.6591 176.4811 42 P 4.5144 0.0000 0.0000 65.3967 31.1073 178.9155 43 G 3.5428 8.3906 104.7390 47.7217 0.0000 175.7322 44 A 4.0178 8.3140 123.4851 54.6388 18.2498 179.8583 45 L 3.9466 8.0316 117.6150 57.9397 41.7935 179.5282 46 L 3.9288 8.0691 118.7190 57.8147 41.5037 179.3302 47 A 3.9838 8.1060 120.6487 55.3846 18.0653 179.7152 48 R 3.8296 7.8396 115.8279 59.6245 30.2267 178.3052 49 E 4.1393 8.2470 117.7942 58.9433 29.5646 178.5875 50 L 4.3929 8.3282 118.3852 55.1862 42.0755 177.8835 51 G 3.9862 8.2077 106.2659 45.1449 0.0000 173.3149 52 I 4.0263 7.6177 122.9887 60.8325 36.9361 176.9129 53 R 4.1059 8.6724 125.1511 58.2602 29.6387 172.9761 54 H 4.9503 8.0367 115.1722 54.2832 32.5122 172.1911 55 V 4.4873 8.0127 125.7340 61.2815 33.3745 174.6315 56 D 4.9877 9.1418 128.3167 53.6384 42.8483 175.4946 57 T 5.1726 8.3049 109.9183 60.2765 71.9377 173.0605 58 V 4.7142 8.6557 115.2694 60.1411 37.0688 174.4271 59 A 4.7300 8.3703 125.2771 51.7920 21.2467 177.3143 60 I 4.0750 8.5308 123.1000 59.9097 36.5835 173.5845 61 S 4.2163 8.4258 115.1751 61.6002 62.0483 175.2605 *81 G 3.9275 7.8671 109.6314 46.8206 0.0000 171.5397 82 E 4.4665 8.3675 119.6042 57.3054 30.9700 178.0513 83 G 4.1293 9.2787 111.0807 44.5967 0.0000 172.5722 84 F 5.1935 8.1381 118.3382 56.0829 41.6852 174.5659 85 I 4.6166 8.3432 123.0597 59.5942 39.4311 174.6272 86 V 4.6500 8.5288 127.3423 61.1818 33.5976 174.1873 87 I 5.7610 8.7109 127.9338 58.5455 41.3361 173.5298 88 D 5.1780 8.5351 126.0948 52.5687 44.7456 175.4621 89 D 4.6569 8.5518 121.3572 56.2981 40.2504 175.9528 90 L 5.3028 8.1888 118.6112 52.5705 45.8458 175.6022 91 V 4.2453 8.4832 124.1326 60.6763 32.7973 175.1731 92 D 4.3683 8.9416 124.6101 56.0670 41.8004 176.6900 93 T 4.0058 7.3868 116.1585 65.5798 69.7622 176.0218 *96 T 4.3260 7.9039 118.1398 60.7405 71.8971 178.1245 97 A 4.1437 8.3980 123.8013 56.6213 18.2092 180.4635 98 V 3.5386 7.8079 116.9027 66.2551 31.8131 180.0542 99 A 4.1607 8.0123 121.3073 55.0576 18.1068 179.6471 100 I 3.6116 7.4860 117.5810 64.6733 36.9238 178.8834 101 R 4.0858 7.7627 119.9868 59.7910 29.8802 179.4290 102 E 4.1776 8.0061 119.8697 61.9123 29.8937 182.1423 103 M 4.3450 7.7845 120.5057 58.0415 32.6312 177.9148 104 Y 4.8685 8.0784 119.3458 55.1499 38.7481 174.2164 105 P 4.4773 0.0000 0.0000 65.0460 31.9186 178.3365 106 K 4.5167 8.0895 116.5376 54.0816 32.3067 179.8777 107 A 4.8134 7.4633 119.4961 52.4339 19.8887 178.0178 108 H 4.8571 9.2900 121.1994 54.8940 30.1822 173.1511 109 F 5.3212 9.2794 128.3421 57.9877 40.3478 174.3634 110 V 4.9459 9.1730 119.5414 59.8504 36.0751 174.7127 111 T 5.5892 8.2302 111.4489 59.6791 72.3144 175.0249 112 I 3.6329 8.5866 123.0519 64.1316 38.0790 175.9959 113 F 5.4760 8.2604 119.3378 55.9812 42.7287 174.4445 114 A 4.6407 8.4476 120.2427 51.0644 22.9951 176.4926 115 K 4.9078 8.2325 121.2586 53.4944 34.4667 176.1950 116 P 4.0837 0.0000 0.0000 65.9143 31.4459 178.2074 117 A 4.0867 8.4383 120.0123 55.2058 18.3606 178.9092 118 G 3.7818 7.8906 102.8999 46.6917 0.0000 175.3484 119 R 3.5733 7.6158 119.8685 59.1669 29.9704 175.8584 120 P 4.5115 0.0000 0.0000 63.7094 31.6968 177.5639 121 L 4.3064 7.9343 118.4338 55.9800 42.2506 177.6289 122 V 3.9359 6.9354 110.3809 60.5098 32.6430 175.8783 123 D 4.6160 8.6659 123.0305 57.2797 41.4175 176.1507 124 D 4.7164 7.7377 115.4460 53.7620 44.6324 173.6872 125 Y 5.6361 7.8499 120.3912 57.1007 40.8914 173.6169 126 V 4.0331 8.6009 116.3611 64.0204 33.4469 175.4677 127 V 4.5198 7.9807 120.4428 61.0528 34.2595 173.4851 128 D 5.3763 8.8181 127.2103 53.1261 42.0839 175.8166 129 I 4.5038 8.1378 116.0256 58.0283 40.9791 173.5528 130 P 4.2699 0.0000 0.0000 62.5672 31.8535 177.1456 131 Q 3.9039 8.7020 122.5329 58.9594 28.9499 177.0010 132 D 4.6786 7.9192 114.6056 53.3533 40.0937 175.9162 133 T 4.2434 7.6707 111.8956 61.1984 70.0891 174.5210 134 W 4.6606 8.9374 135.0000 56.6556 31.4243 174.0699 135 I 4.6826 8.3808 128.1547 59.5939 38.9245 174.0210 136 E 4.4476 8.7753 130.9581 54.4164 31.6900 175.1044 137 Q 3.9182 8.0813 125.8320 53.7337 30.2370 174.8285 138 P 3.5724 0.0000 0.0000 65.3618 30.8371 178.3821 139 W 4.4776 6.5969 113.8308 58.2615 28.2066 176.0715 140 D 4.8176 7.5976 117.8749 54.3522 40.6114 175.1497 141 M 4.8161 7.2704 118.8828 54.1347 35.5662 174.1100 142 G 3.9201 7.9077 106.1050 45.6216 0.0000 173.4138 143 V 3.9818 8.3969 119.8744 61.6592 31.0360 175.2147 144 V 4.6126 7.8376 119.3269 58.7997 35.6070 175.2462 145 F 4.1523 8.7876 123.2630 58.3265 39.5386 174.3086 146 V 4.0371 7.2162 126.9351 59.9598 32.9413 173.2625 147 P 4.1340 0.0000 0.0000 62.0275 31.8040 174.7761 148 P 4.4156 0.0000 0.0000 62.4322 31.9525 177.0522 149 I 3.7961 8.3187 124.1774 64.9987 37.4318 177.2479 150 S 4.3279 7.9325 120.0584 58.2710 62.1236 176.5027 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 3 E 8.44 4.45 0.00 1.77 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.89 0.00 4 K 7.60 4.27 0.00 1.55 1.36 0.00 0.61 0.00 0.00 0.95 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.76 0.81 7.81 5 Y 9.46 4.04 0.00 3.07 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 I 7.55 4.10 1.58 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.72 0.67 0.00 0.00 7 V 7.86 4.19 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.76 0.00 0.00 8 T 8.15 4.18 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 9 W 8.76 4.37 0.00 3.43 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 D 8.33 4.45 0.00 2.72 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 M 7.70 4.01 0.00 2.02 2.19 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.65 0.00 12 L 8.17 4.05 0.00 1.81 1.99 1.14 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 8.50 4.04 0.00 2.40 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.40 2.46 0.00 14 I 7.85 3.71 1.94 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.69 0.90 0.00 0.00 15 H 8.24 4.18 0.00 3.27 3.13 0.00 5.64 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 A 8.35 4.02 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 R 8.19 3.88 0.00 2.05 2.00 0.00 3.15 0.00 0.00 3.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.86 0.00 18 K 7.88 3.92 0.00 1.76 1.96 0.00 1.80 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.43 7.81 19 L 7.99 4.02 0.00 1.75 1.81 0.86 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 20 A 8.32 3.99 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.13 4.13 0.00 4.09 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 R 7.66 4.25 0.00 1.98 2.11 0.00 3.41 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 23 L 7.52 4.77 0.00 1.90 1.89 0.71 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 24 M 7.44 4.41 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.86 0.00 25 P 0.00 4.56 0.00 2.09 2.00 0.00 3.50 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.04 0.00 26 S 8.62 4.46 0.00 4.15 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 E 8.09 4.10 0.00 1.89 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 28 Q 7.27 3.91 0.00 1.61 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.61 0.00 0.00 0.00 0.00 0.00 1.87 1.16 0.00 29 W 7.52 5.08 0.00 3.28 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 K 8.97 4.02 0.00 1.49 1.71 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.38 1.27 7.81 31 G 6.68 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 I 8.00 5.22 1.85 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.71 0.91 0.00 0.00 33 I 9.30 4.85 1.59 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.73 0.67 0.00 0.00 34 A 9.10 4.94 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 V 8.19 4.44 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.98 0.00 0.00 36 S 8.90 4.42 0.00 3.76 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 R 8.70 4.32 0.00 1.72 1.73 0.00 3.08 0.00 0.00 3.32 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 38 G 7.64 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 G 8.56 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 L 7.77 3.90 0.00 1.67 1.68 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 41 V 7.41 3.83 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 1.05 0.00 0.00 42 P 0.00 4.51 0.00 2.27 2.18 0.00 3.77 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.42 0.00 43 G 8.39 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 A 8.31 4.02 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 L 8.03 3.95 0.00 1.94 1.77 1.07 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 46 L 8.07 3.93 0.00 1.81 1.66 0.82 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 47 A 8.11 3.98 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 R 7.84 3.83 0.00 1.95 2.14 0.00 3.43 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.81 0.00 49 E 8.25 4.14 0.00 2.10 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.50 0.00 50 L 8.33 4.39 0.00 1.63 1.79 0.85 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 51 G 8.21 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 I 7.62 4.03 1.88 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.62 0.95 0.00 0.00 53 R 8.67 4.11 0.00 1.83 1.85 0.00 3.20 0.00 0.00 3.15 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 54 H 8.04 4.95 0.00 3.02 3.20 0.00 5.84 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 V 8.01 4.49 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.90 0.00 0.00 56 D 9.14 4.99 0.00 2.63 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 T 8.30 5.17 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 58 V 8.66 4.71 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.98 0.00 0.00 59 A 8.37 4.73 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 I 8.53 4.07 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.73 0.91 0.00 0.00 61 S 8.43 4.22 0.00 3.62 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *81 G 7.87 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 E 8.37 4.47 0.00 2.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.87 0.00 83 G 9.28 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 F 8.14 5.19 0.00 3.22 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 I 8.34 4.62 1.58 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.14 0.69 0.00 0.00 86 V 8.53 4.65 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.64 0.00 0.00 87 I 8.71 5.76 1.85 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.41 1.00 0.00 0.00 88 D 8.54 5.18 0.00 3.08 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 D 8.55 4.66 0.00 3.18 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 L 8.19 5.30 0.00 1.77 1.63 0.97 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 91 V 8.48 4.25 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 1.03 0.00 0.00 92 D 8.94 4.37 0.00 2.64 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 T 7.39 4.01 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 *96 T 7.90 4.33 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 97 A 8.40 4.14 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 7.81 3.54 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.93 0.00 0.00 99 A 8.01 4.16 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 I 7.49 3.61 1.50 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.56 0.44 0.00 0.00 101 R 7.76 4.09 0.00 1.97 2.01 0.00 3.39 0.00 0.00 3.31 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.85 0.00 102 E 8.01 4.18 0.00 2.10 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.19 0.00 103 M 7.78 4.35 0.00 2.13 2.01 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.45 0.00 104 Y 8.08 4.87 0.00 2.87 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 P 0.00 4.48 0.00 2.08 2.13 0.00 3.68 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.32 0.00 106 K 8.09 4.52 0.00 1.76 1.67 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.27 0.98 7.81 107 A 7.46 4.81 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 H 9.29 4.86 0.00 3.51 3.08 0.00 5.78 0.00 0.00 0.00 0.00 6.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 F 9.28 5.32 0.00 3.13 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 V 9.17 4.95 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.87 0.00 0.00 111 T 8.23 5.59 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 112 I 8.59 3.63 1.93 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.02 0.19 0.00 0.00 113 F 8.26 5.48 0.00 2.94 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 A 8.45 4.64 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 K 8.23 4.91 0.00 1.67 1.69 0.00 1.90 0.00 0.00 1.80 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.19 7.81 116 P 0.00 4.08 0.00 2.10 2.09 0.00 3.86 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.05 0.00 117 A 8.44 4.09 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 G 7.89 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 R 7.62 3.57 0.00 1.80 2.00 0.00 3.24 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.25 0.00 120 P 0.00 4.51 0.00 2.07 2.09 0.00 3.88 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.16 0.00 121 L 7.93 4.31 0.00 1.80 1.87 0.97 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 122 V 6.94 3.94 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.08 0.00 0.00 0.87 0.00 0.00 123 D 8.67 4.62 0.00 2.51 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 D 7.74 4.72 0.00 2.65 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 Y 7.85 5.64 0.00 2.87 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 V 8.60 4.03 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.82 0.00 0.00 127 V 7.98 4.52 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.57 0.00 0.00 128 D 8.82 5.38 0.00 2.66 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 I 8.14 4.50 1.52 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.82 0.31 0.00 0.00 130 P 0.00 4.27 0.00 2.16 2.00 0.00 3.49 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.05 0.00 131 Q 8.70 3.90 0.00 1.96 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 7.00 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 132 D 7.92 4.68 0.00 2.80 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 T 7.67 4.24 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 134 W 8.94 4.66 0.00 3.41 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 I 8.38 4.68 1.66 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.87 0.82 0.00 0.00 136 E 8.78 4.45 0.00 1.57 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.02 0.00 137 Q 8.08 3.92 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.61 0.00 0.00 0.00 0.00 0.00 2.10 2.07 0.00 138 P 0.00 3.57 0.00 0.49 1.46 0.00 2.46 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 1.14 0.00 139 W 6.60 4.48 0.00 3.49 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 D 7.60 4.82 0.00 2.68 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 M 7.27 4.82 0.00 1.85 1.78 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.28 0.00 142 G 7.91 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 V 8.40 3.98 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.97 0.00 0.00 144 V 7.84 4.61 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.95 0.00 0.00 145 F 8.79 4.15 0.00 2.95 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 V 7.22 4.04 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.87 0.00 0.00 147 P 0.00 4.13 0.00 2.05 2.04 0.00 3.63 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.30 0.00 148 P 0.00 4.42 0.00 2.04 1.96 0.00 3.71 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.08 0.00 149 I 8.32 3.80 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.42 0.89 0.00 0.00 150 S 7.93 4.33 0.00 3.63 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.